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Clathrin-IN-1

CAT: 0607-BA1965-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1965-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1332879-52-3
Molecular Formula
C20H13BrN2O3S2
Molecular Weight
473.36
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pitstop2
CAS Number1332879-52-3
PubChem CID136227331
IUPAC Name(NE)-N-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]naphthalene-1-sulfonamide
Molecular FormulaC20H13BrN2O3S2
Molecular Weight473.4
XLogP5.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity767
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)/N=C/3\NC(=O)/C(=C/C4=CC=C(C=C4)Br)/S3
InChI
InChI=1S/C20H13BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-12H,(H,22,23,24)/b17-12-
InChIKey
CGDLWHGPJPVPDU-ATVHPVEESA-N
Chemical Structure
2D Structure
2D structure of Pitstop2
CAS: 1332879-52-3
CID: 136227331
Formula: C20H13BrN2O3S2
MW: 473.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight473.4
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass471.95510
Monoisotopic Mass471.95510
Topological Polar Surface Area109 Ų
Heavy Atom Count28
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes